5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide

C22H22N2O5 — CID 55788976

IUPAC5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide
SMILESCCCOc1cccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1
InChIInChI=1S/C22H22N2O5/c1-2-13-27-18-10-6-7-16(14-18)21(25)23-24-22(26)20-12-11-19(29-20)15-28-17-8-4-3-5-9-17/h3-12,14H,2,13,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyIRGCKXFMQZOFLP-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.72
Rot. Bonds8

About 5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide

5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide (PubChem CID 55788976) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide
PubChem CID55788976
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide
SMILESCCCOc1cccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1
InChIInChI=1S/C22H22N2O5/c1-2-13-27-18-10-6-7-16(14-18)21(25)23-24-22(26)20-12-11-19(29-20)15-28-17-8-4-3-5-9-17/h3-12,14H,2,13,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyIRGCKXFMQZOFLP-UHFFFAOYSA-N
XLogP3.72
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 8623746
N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219874
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
N'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26746199
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
N-(benzamidocarbamothioyl)-3-propoxybenzamide
CID 4960455
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955139
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053

Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide?
The IUPAC name of 5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide (CID 55788976) is 5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide is CCCOc1cccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1.
What is the InChIKey of 5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide?
The InChIKey is IRGCKXFMQZOFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-2-13-27-18-10-6-7-16(14-18)21(25)23-24-22(26)20-12-11-19(29-20)15-28-17-8-4-3-5-9-17/h3-12,14H,2,13,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide?
5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide has a molecular weight of 394.43 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 55788976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).